3-methyl-N-[3-methyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-yl]-N-phenyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine

C48H43N5 — CID 71180005

IUPAC3-methyl-N-[3-methyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-yl]-N-phenyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine
SMILESCc1cc(C)c(-c2cn3c(C)c(N(c4ccccc4)c4nc5c6ccccc6c(-c6c(C)cc(C)cc6C)cn5c4C)nc3c3ccccc23)c(C)c1
InChIInChI=1S/C48H43N5/c1-28-22-30(3)43(31(4)23-28)41-26-51-34(7)45(49-47(51)39-20-14-12-18-37(39)41)53(36-16-10-9-11-17-36)46-35(8)52-27-42(44-32(5)24-29(2)25-33(44)6)38-19-13-15-21-40(38)48(52)50-46/h9-27H,1-8H3
InChIKeyRLTYCAHTDKLHQV-UHFFFAOYSA-N
MW689.91 g/mol
LogP12.56
Rot. Bonds5

About 3-methyl-N-[3-methyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-yl]-N-phenyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine

3-methyl-N-[3-methyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-yl]-N-phenyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine (PubChem CID 71180005) has the molecular formula C48H43N5 and a molecular weight of 689.91 g/mol. Its IUPAC name is 3-methyl-N-[3-methyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-yl]-N-phenyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[3-methyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-yl]-N-phenyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine
PubChem CID71180005
Molecular FormulaC48H43N5
Molecular Weight689.91 g/mol
Exact Mass689.35
IUPAC Name3-methyl-N-[3-methyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-yl]-N-phenyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine
SMILESCc1cc(C)c(-c2cn3c(C)c(N(c4ccccc4)c4nc5c6ccccc6c(-c6c(C)cc(C)cc6C)cn5c4C)nc3c3ccccc23)c(C)c1
InChIInChI=1S/C48H43N5/c1-28-22-30(3)43(31(4)23-28)41-26-51-34(7)45(49-47(51)39-20-14-12-18-37(39)41)53(36-16-10-9-11-17-36)46-35(8)52-27-42(44-32(5)24-29(2)25-33(44)6)38-19-13-15-21-40(38)48(52)50-46/h9-27H,1-8H3
InChIKeyRLTYCAHTDKLHQV-UHFFFAOYSA-N
XLogP12.56
TPSA37.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.91
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[3-methyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-yl]-N-phenyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-methyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-yl]-N-phenyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine?
The IUPAC name of 3-methyl-N-[3-methyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-yl]-N-phenyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine (CID 71180005) is 3-methyl-N-[3-methyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-yl]-N-phenyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine.
What is the SMILES notation for 3-methyl-N-[3-methyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-yl]-N-phenyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine?
The canonical SMILES for 3-methyl-N-[3-methyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-yl]-N-phenyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine is Cc1cc(C)c(-c2cn3c(C)c(N(c4ccccc4)c4nc5c6ccccc6c(-c6c(C)cc(C)cc6C)cn5c4C)nc3c3ccccc23)c(C)c1.
What is the InChIKey of 3-methyl-N-[3-methyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-yl]-N-phenyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine?
The InChIKey is RLTYCAHTDKLHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H43N5/c1-28-22-30(3)43(31(4)23-28)41-26-51-34(7)45(49-47(51)39-20-14-12-18-37(39)41)53(36-16-10-9-11-17-36)46-35(8)52-27-42(44-32(5)24-29(2)25-33(44)6)38-19-13-15-21-40(38)48(52)50-46/h9-27H,1-8H3.
What are the key properties of 3-methyl-N-[3-methyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-yl]-N-phenyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine?
3-methyl-N-[3-methyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-yl]-N-phenyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine has a molecular weight of 689.91 g/mol, XLogP of 12.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-methyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-yl]-N-phenyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine is sourced from PubChem (CID 71180005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).